Semiclassical Monte Carlo methods

The problem of constructing quantum–mechanical corrections to classical equilibrium statistical–mechanical results is considered. These corrections (excluding interchange symmetry effects) can be computed within a classical framework if a temperature-dependent effective potential is utilized. Two approaches to the construction of this potential are investigated. The first of these is a modification of an earlier procedure by Feynman. This method is similar in spirit to the empirical Pitzer–Gwinn approximation, and in fact is utilized to derive this earlier result. The second approach involves a general Monte Carlo prescription both for the construction of the effective potential and for obtaining the ratio of the quantum and classical–mechanical partition functions.